(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate--hydrogen chloride (1/1)
Basic information
- CAS
93101-83-8- Standard SMILES
CC(C)C(O)(C(=O)OCC1=CC[NH+](C)CC1)c1ccccc1.[Cl-]- InChIKey
XUJGQKXNYMRRAN-UHFFFAOYSA-N- Molecular formula
- C18H26ClNO3
- Average molar mass
- 339.9 g/mol
- Monoisotopic mass
- 339.1601214
Names & identifiers
- Preferred name
- (1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate--hydrogen chloride (1/1)
- IUPAC
- (1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate chloride
Names & synonyms
93101-83-8DTXSID80918699(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate--hydrogen chloride (1/1)RefChem:1049266DTXCID6013476454-(1-Methyl-1,2,3,6-tetrahydropyridyl)methyl isopropylphenylglycolate hydrochlorideMandelic acid, alpha-isopropyl-, (1-methyl-1,2,3,6-tetrahydro-4-pyridyl)methyl ester
Database identifiers
- CAS
93101-83-8- PubChem CID
- 56555
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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